2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-1-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylcyclohexyl]sulfanyl-1-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylcyclohexyl]sulfanyl-ethanone CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-2-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]cyclohexyl]thio]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylcyclohexyl]sulfanylethanone Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-2-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]cyclohexyl]thio]ethanone Formula: C34H48N2O3S2 MolecularWeight: 596.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3CCCCC3SC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3CCCCC3SC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C34H48N2O3S2/c1-23(37)24-12-14-25(15-13-24)35-16-18-36(19-17-35)31(38)22-40-29-10-8-9-11-30(29)41-26-20-27(33(2,3)4)32(39)28(21-26)34(5,6)7/h12-15,20-21,29-30,39H,8-11,16-19,22H2,1-7H3